ChemSpider 2D Image | (2S)-2-[(1R,3aR,7aR)-4-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-7a-methyloctahydro-1H-inden-1-yl]propanal | C19H36O2Si

(2S)-2-[(1R,3aR,7aR)-4-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-7a-methyloctahydro-1H-inden-1-yl]propanal

  • Molecular FormulaC19H36O2Si
  • Average mass324.573 Da
  • Monoisotopic mass324.248444 Da
  • ChemSpider ID58790074

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-[(1R,3aR,7aR)-4-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-7a-methyloctahydro-1H-inden-1-yl]propanal [German] [ACD/IUPAC Name]
(2S)-2-[(1R,3aR,7aR)-4-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-7a-methyloctahydro-1H-inden-1-yl]propanal [ACD/IUPAC Name]
(2S)-2-[(1R,3aR,7aR)-4-{[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}-7a-méthyloctahydro-1H-indén-1-yl]propanal [French] [ACD/IUPAC Name]
1H-Indene-1-acetaldehyde, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]octahydro-α,7a-dimethyl-, (αS,1R,3aR,7aR)- [ACD/Index Name]
215508-96-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 361.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.8±3.0 kJ/mol
Flash Point: 143.5±15.9 °C
Index of Refraction: 1.471
Molar Refractivity: 96.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5735.73
ACD/KOC (pH 5.5): 17060.43
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5735.73
ACD/KOC (pH 7.4): 17060.43
Polar Surface Area: 26 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 29.5±5.0 dyne/cm
Molar Volume: 345.7±5.0 cm3

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